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Information card for entry 7200661
Preview
| Coordinates | 7200661.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H22 O5 |
|---|---|
| Calculated formula | C20 H22 O5 |
| SMILES | OC(=O)[C@H]([C@@H](C(=O)O)c1ccccc1)c1ccccc1.O1CCCC1.OC(=O)[C@@H]([C@H](C(=O)O)c1ccccc1)c1ccccc1.O1CCCC1 |
| Title of publication | Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square |
| Authors of publication | Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 4 |
| Pages of publication | 549 |
| a | 9.1569 ± 0.0007 Å |
| b | 10.3223 ± 0.0009 Å |
| c | 11.04 ± 0.0009 Å |
| α | 69.817 ± 0.001° |
| β | 74.207 ± 0.002° |
| γ | 64.677 ± 0.001° |
| Cell volume | 875.72 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1637 |
| Residual factor for significantly intense reflections | 0.0897 |
| Weighted residual factors for significantly intense reflections | 0.2391 |
| Weighted residual factors for all reflections included in the refinement | 0.32 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7200661.cif |
| 180337 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/06. |
7200661.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7200661.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7200661.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7200661.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7200661.cif |
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